3-aminopyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione
Chemical Structure Depiction of
3-aminopyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione
3-aminopyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione
Compound characteristics
| Compound ID: | 8018-6849 |
| Compound Name: | 3-aminopyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione |
| Molecular Weight: | 180.12 |
| Molecular Formula: | C5 H4 N6 O2 |
| Smiles: | C1(c2c(NC(N1)=O)nc(N)nn2)=O |
| Stereo: | ACHIRAL |
| logP: | -1.4487 |
| logD: | -2.6494 |
| logSw: | -1.3031 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 102.723 |
| InChI Key: | XMMKYOZIGTXQMC-UHFFFAOYSA-N |